2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine

C12H17ClN2 — CID 3158582

IUPAC2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C12H17ClN2/c13-11-6-2-1-5-10(11)12(9-14)15-7-3-4-8-15/h1-2,5-6,12H,3-4,7-9,14H2
InChIKeyIZHQBEMKODNZFF-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.44
Rot. Bonds3

About 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine

2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine (PubChem CID 3158582) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine
PubChem CID3158582
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine
SMILESNCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C12H17ClN2/c13-11-6-2-1-5-10(11)12(9-14)15-7-3-4-8-15/h1-2,5-6,12H,3-4,7-9,14H2
InChIKeyIZHQBEMKODNZFF-UHFFFAOYSA-N
XLogP2.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine (CID 3158582) is 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine is NCC(c1ccccc1Cl)N1CCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine?
The InChIKey is IZHQBEMKODNZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-11-6-2-1-5-10(11)12(9-14)15-7-3-4-8-15/h1-2,5-6,12H,3-4,7-9,14H2.
What are the key properties of 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine?
2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine has a molecular weight of 224.73 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 3158582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).